N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide

C22H21N3O4 — CID 170505852

IUPACN-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)cc(CCc3ccccc3)oc2=O)cn1
InChIInChI=1S/C22H21N3O4/c1-14-12-18(10-8-16-6-4-3-5-7-16)29-22(28)20(14)21(27)25-17-9-11-19(23-13-17)24-15(2)26/h3-7,9,11-13H,8,10H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyVSBOZEQBMVFCQH-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.34
Rot. Bonds6

About N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide

N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide (PubChem CID 170505852) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
PubChem CID170505852
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)cc(CCc3ccccc3)oc2=O)cn1
InChIInChI=1S/C22H21N3O4/c1-14-12-18(10-8-16-6-4-3-5-7-16)29-22(28)20(14)21(27)25-17-9-11-19(23-13-17)24-15(2)26/h3-7,9,11-13H,8,10H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyVSBOZEQBMVFCQH-UHFFFAOYSA-N
XLogP3.34
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170509345
N-(6-hydroxy-6-methylheptan-2-yl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 169414908
4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 169411131
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 169412250
3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide
CID 113013026
N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170508061
4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508635
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505989
4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170511383
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170507657
N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113020496
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide (CID 170505852) is N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(C)cc(CCc3ccccc3)oc2=O)cn1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The InChIKey is VSBOZEQBMVFCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14-12-18(10-8-16-6-4-3-5-7-16)29-22(28)20(14)21(27)25-17-9-11-19(23-13-17)24-15(2)26/h3-7,9,11-13H,8,10H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide is sourced from PubChem (CID 170505852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).